Su1498

Chemical Information
SU1498 is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enoic acid with the amino group of 3-phenylpropylamine. It has a role as a vascular endothelial growth factor receptor antagonist. It is a secondary carboxamide, a nitrile, a monocarboxylic acid amide, a member of phenols and an enamide.
| CAS Number | 168835-82-3 |
| PubChem CID | 5941539 |
| IUPAC Name | (E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-N-(3-phenylpropyl)prop-2-enamide |
| Molecular Formula | C25H30N2O2 |
| Molecular Weight | 390.5 |
| XLogP | 5.8 |
| Topological Polar Surface Area | 73.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 577 |
| Property | Value |
|---|---|
| Molecular Weight | 390.5 |
| XLogP3 | 5.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 8 |
| Exact Mass | 390.230728204 |
| Monoisotopic Mass | 390.230728204 |
| Topological Polar Surface Area | 73.1 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 577 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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